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Drp1-IN-1

CAT: 0804-HY-125222-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-125222-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Drp1-IN-1 (comp A-7) is a dynamin-1-like protein (Drp1) inhibitor, with an IC50 of 0.91 μM[1].
CAS Number
2247733-08-8
UNSPSC
12352005
Target
Dynamin
Type
Reference compound
Related Pathways
Cytoskeleton
Applications
Neuroscience-Neuromodulation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/drp1-in-1.html
Purity
98.50
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=CC(C)=CN1CC2=CSC(N3CCCCC3)=N2)NC4=CC=C(C5=NN=NN5)C=C4
Molecular Formula
C22H24N8OS
Molecular Weight
448.54
References & Citations
[1]JI NAN (US), et al. DYNAMIN-1-LIKE PROTEIN INHIBITORS. Patent WO2018200674A1.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Drp1-IN-1
CAS Number2247733-08-8
PubChem CID134817168
IUPAC Name4-methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]-N-[4-(2H-tetrazol-5-yl)phenyl]pyrrole-2-carboxamide
Molecular FormulaC22H24N8OS
Molecular Weight448.5
XLogP3.4
Topological Polar Surface Area133
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity627
SMILES
CC1=CN(C(=C1)C(=O)NC2=CC=C(C=C2)C3=NNN=N3)CC4=CSC(=N4)N5CCCCC5
InChI
InChI=1S/C22H24N8OS/c1-15-11-19(21(31)23-17-7-5-16(6-8-17)20-25-27-28-26-20)30(12-15)13-18-14-32-22(24-18)29-9-3-2-4-10-29/h5-8,11-12,14H,2-4,9-10,13H2,1H3,(H,23,31)(H,25,26,27,28)
InChIKey
QNOOJEJAIFNEBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Drp1-IN-1
CAS: 2247733-08-8
CID: 134817168
Formula: C22H24N8OS
MW: 448.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.5
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass448.17937859
Monoisotopic Mass448.17937859
Topological Polar Surface Area133 Ų
Heavy Atom Count32
Formal Charge0
Complexity627
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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